Comments (2)
Hi! Thanks for submitting an issue.
Can you send us the code you used to create the calculator?
One source of the problem might be that you used float32 for training, and the default dtype for the calculator is float64. Have you specified the data type to float32 when creating the calculator by setting the keyword default_dtype="float32"
?
from mace.
That specification worked, thanks for the quick response. The previous version of MACE worked without it, which is why I hadn't considered it here.
from mace.
Related Issues (20)
- need to be able to specify what head is used for _prediction_ with a multihead model HOT 1
- error table sometimes missing stress/virial columns HOT 1
- mace_run_train: unrecognized arguments: `--foundation_model` on pip installer version HOT 1
- AtomicEnergies input for training new model
- bug in print_git_commit() HOT 3
- What is `compiled` model in new version 0.3.5? HOT 1
- How do you generate the input xyz files for MD22? HOT 1
- How do you make mutli-GPU training? HOT 2
- a couple of weird statements in new multihead fine-tuning interface code HOT 2
- training with foudational_model HOT 12
- How to run multi-GPU with mace-lammps?
- Error reading 'extended' xyz format files HOT 23
- What are the node energies? HOT 2
- Training flag not working HOT 2
- Dipole fitting on multi-GPU
- Is 0.694 timesteps/s a normal speed?
- select pretrained configs for multihead replay with or without replacement? HOT 2
- adding cmd argument for specifying wandb directory HOT 2
- CUDA Out of Memory with GCMC
- Distributed Training: invalid device ordinal
Recommend Projects
-
React
A declarative, efficient, and flexible JavaScript library for building user interfaces.
-
Vue.js
🖖 Vue.js is a progressive, incrementally-adoptable JavaScript framework for building UI on the web.
-
Typescript
TypeScript is a superset of JavaScript that compiles to clean JavaScript output.
-
TensorFlow
An Open Source Machine Learning Framework for Everyone
-
Django
The Web framework for perfectionists with deadlines.
-
Laravel
A PHP framework for web artisans
-
D3
Bring data to life with SVG, Canvas and HTML. 📊📈🎉
-
Recommend Topics
-
javascript
JavaScript (JS) is a lightweight interpreted programming language with first-class functions.
-
web
Some thing interesting about web. New door for the world.
-
server
A server is a program made to process requests and deliver data to clients.
-
Machine learning
Machine learning is a way of modeling and interpreting data that allows a piece of software to respond intelligently.
-
Visualization
Some thing interesting about visualization, use data art
-
Game
Some thing interesting about game, make everyone happy.
Recommend Org
-
Facebook
We are working to build community through open source technology. NB: members must have two-factor auth.
-
Microsoft
Open source projects and samples from Microsoft.
-
Google
Google ❤️ Open Source for everyone.
-
Alibaba
Alibaba Open Source for everyone
-
D3
Data-Driven Documents codes.
-
Tencent
China tencent open source team.
from mace.